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Ligand

NameCHEMBL246339
Molecular formulaC32H34ClF2N5O2
IUPAC name2-(4-aminophenyl)-4-[[2-(4-chlorophenyl)ethyl-[1-(2,6-difluorobenzoyl)piperidin-4-yl]amino]methyl]-1,5-dimethylpyrazol-3-one
Molecular weight594.104
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM50214133
SCHEMBL18840974
4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)piperidin-4-yl)amino)methyl)-2-(4-aminophenyl)-1,5-dimethyl-1,2-dihydropyrazol-3-one
Inchi KeyAQIPJIQPPWTJAY-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H34ClF2N5O2/c1-21-27(31(41)40(37(21)2)26-12-10-24(36)11-13-26)20-39(17-14-22-6-8-23(33)9-7-22)25-15-18-38(19-16-25)32(42)30-28(34)4-3-5-29(30)35/h3-13,25H,14-20,36H2,1-2H3
PubChem CID44440421
ChEMBLCHEMBL246339
IUPHARN/A
BindingDB50214133
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11782C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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